[CP2K-user] [CP2K:11001] Concerning PCSM

[Krack Matthias (PSI)]

Dear Anton

it is not missing. The model is implemented, but the name of the input section is SCCS and not PCSM. Please check https://manual.cp2k.org/cp2k-6_1-branch/CP2K_INPUT/FORCE_EVAL/DFT/SCCS.html for details.

HTH

Matthias

Von: cp... at googlegroups.com <cp... at googlegroups.com> Im Auftrag von Anton Kudelin
Gesendet: Montag, 3. Dezember 2018 20:02
An: cp2k <cp... at googlegroups.com>
Betreff: [CP2K:11001] Concerning PCSM

Hi all,

I found an useful article<https://doi.org/10.1016/j.pnsc.2017.03.003> referred to as "Periodic continuum solvation model integrated with first-principles calculations for solid surfaces" where authors described the implementation of the PCSM model in CP2K. Unfortunately, the corresponding feature in the official release is missed. Does anyone know the fate of this code?

Best regards,
Anton K.
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